Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(F)(F)F.O=C(NC1=C(C=NN1CCC1=CC=CC=C1)C(=O)NCC1=CC=CC2=CC=CC=C12)C1CCCNC1

InChIKey

InChIKey=JRJGNBFOEYZAIC-UHFFFAOYSA-N

Formula

C31H32F3N5O4

Mass

595.623

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Subclass

Amino acids, peptides, and analogues

Intermediate Tree Nodes

Amino acids and derivatives

Direct Parent

Beta amino acids and derivatives

Alternative Parents

Molecular Framework

Not available

Substituents

Beta amino acid or derivatives - Naphthalene - 3-piperidinecarboxamide - Piperidinecarboxamide - Pyrazole-4-carboxamide - N-arylamide - Monocyclic benzene moiety - Benzenoid - Piperidine - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Azole - Heteroaromatic compound - Vinylogous amide - Pyrazole - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Secondary aliphatic amine - Azacycle - Secondary amine - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.

External Descriptors

Not available

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